nitrate nitrite

N2O5-2 — CID 22182872

IUPACnitrate nitrite
SMILESO=N[O-].O=[N+]([O-])[O-]
InChIInChI=1S/NO3.HNO2/c2-1(3)4;2-1-3/h;(H,2,3)/q-1;/p-1
InChIKeyBHUNVSUQSMTCLX-UHFFFAOYSA-M
MW108.01 g/mol
LogP0.01
Rot. Bonds

About nitrate nitrite

nitrate nitrite (PubChem CID 22182872) has the molecular formula N2O5-2 and a molecular weight of 108.01 g/mol. Its IUPAC name is nitrate nitrite.

Molecular Properties

Compound Namenitrate nitrite
PubChem CID22182872
Molecular FormulaN2O5-2
Molecular Weight108.01 g/mol
Exact Mass107.98
IUPAC Namenitrate nitrite
SMILESO=N[O-].O=[N+]([O-])[O-]
InChIInChI=1S/NO3.HNO2/c2-1(3)4;2-1-3/h;(H,2,3)/q-1;/p-1
InChIKeyBHUNVSUQSMTCLX-UHFFFAOYSA-M
XLogP0.01
TPSA118.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.01
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ruthenium(2+);nitrate;nitrite
CID 175288692
dysprosium;dinitrate;nitrite;hexahydrate
CID 174912921
disodium;phosphoric acid;nitrate;nitrite
CID 22990456
dicalcium;urea;nitrate;nitrite
CID 161317819
sodium;nitric acid;nitrite
CID 22990458
azanium;nitric acid;nitrite
CID 22114427
molecular nitrogen;nitrous amide;nitroxyl;nitrate;nitrite
CID 164955198
nickel(2+) dinitrite
CID 20831815
tetrasilver;tetranitrate
CID 172745321
beryllium dinitrate
CID 26126
palladium nitrate
CID 57435577
lead(2+) nitrite
CID 23623754

Frequently Asked Questions

What is the IUPAC name of nitrate nitrite?
The IUPAC name of nitrate nitrite (CID 22182872) is nitrate nitrite.
What is the SMILES notation for nitrate nitrite?
The canonical SMILES for nitrate nitrite is O=N[O-].O=[N+]([O-])[O-].
What is the InChIKey of nitrate nitrite?
The InChIKey is BHUNVSUQSMTCLX-UHFFFAOYSA-M. The full InChI is InChI=1S/NO3.HNO2/c2-1(3)4;2-1-3/h;(H,2,3)/q-1;/p-1.
What are the key properties of nitrate nitrite?
nitrate nitrite has a molecular weight of 108.01 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitrate nitrite is sourced from PubChem (CID 22182872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).